DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:18 UTC
Update Date	2025-03-25 00:49:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02174569
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₃NO₄
Molecular Mass	257.1627
SMILES	CCCC=CCCC(CCC(=O)O)NCC(=O)O
InChI Key	DRAVVVFSADHSSV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	gamma amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amino acids amino fatty acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives fatty acyls hydrocarbon derivatives medium-chain fatty acids organic oxides organopnictogen compounds
Substituents	fatty acyl aliphatic acyclic compound secondary aliphatic amine carbonyl group carboxylic acid amino acid gamma amino acid or derivatives alpha-amino acid or derivatives secondary amine amino fatty acid organic oxide organic oxygen compound organonitrogen compound alpha-amino acid dicarboxylic acid or derivatives organopnictogen compound hydrocarbon derivative medium-chain fatty acid organic nitrogen compound organooxygen compound amine

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